Glycoside
GD119077
Name:
methyl 1-hydroxy-9,10-dioxo-3-[(2,3,4-trihydroxy-5-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}cyclohexyl)oxy]-9,10-dihydroanthracene-2-carboxylateFormula:
C28H30O14Smiles:
COC(=O)c1c(OC2CC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc2c(c1O)C(=O)c1ccccc1C2=OAglycone:
COC(=O)c1c(OC2CC(CO)C(O)C(O)C2O)cc2c(c1O)C(=O)c1ccccc1C2=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 590.53 | Num_heavy_atoms: | 42 |
| TPSA: | 229.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD47667
Formula: C23H22O10
Smiles:
COC(=O)c1c(OC2CC(CO)C(O)C(O)C2O)cc2c(c1O)C(=O)c1ccccc1C2=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.42 | Num_heavy_atoms: | 33 |
| TPSA: | 170.82 | NumAromaticRings: | 2 |
